(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: (3S)-3-(4-benzyloxyphenyl)-3-(tert-butoxycarbonylamino)propanoic acid CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-benzoxyphenyl)-3-(tert-butoxycarbonylamino)propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(13-19(23)24)16-9-11-17(12-10-16)26-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1